PDB: 35845 resultsInfo pagesStatus searchChemie searchBIRD

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6ZJY	Respiratory complex I from Thermus thermophilus, NAD+ dataset, minor state Descriptor: FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, NADH-quinone oxidoreductase subunit 1, ... Authors: Kaszuba, K, Tambalo, M, Gallagher, G.T, Sazanov, L.A. Deposit date: 2020-06-29 Release date: 2020-09-02 Last modified: 2024-05-01 Method: ELECTRON MICROSCOPY (5.5 Å) Cite: Key role of quinone in the mechanism of respiratory complex I. Nat Commun, 11, 2020
2J8S	Drug Export Pathway of Multidrug Exporter AcrB Revealed by DARPin Inhibitors Descriptor: ACRIFLAVINE RESISTANCE PROTEIN B, DARPIN, DODECYL-ALPHA-D-MALTOSIDE, ... Authors: Sennhauser, G, Amstutz, P, Briand, C, Storchenegger, O, Gruetter, M.G. Deposit date: 2006-10-27 Release date: 2007-01-23 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.54 Å) Cite: Drug Export Pathway of Multidrug Exporter Acrb Revealed by Darpin Inhibitors. Plos Biol., 5, 2007
2OHX	REFINED CRYSTAL STRUCTURE OF LIVER ALCOHOL DEHYDROGENASE-NADH COMPLEX AT 1.8 ANGSTROMS RESOLUTION Descriptor: ALCOHOL DEHYDROGENASE, DIMETHYL SULFOXIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... Authors: Al-Karadaghi, S, Cedergren-Zeppezauer, E.S. Deposit date: 1993-08-24 Release date: 1993-10-31 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Refined crystal structure of liver alcohol dehydrogenase-NADH complex at 1.8 A resolution. Acta Crystallogr.,Sect.D, 50, 1994
6DVV	2.25 Angstrom Resolution Crystal Structure of 6-phospho-alpha-glucosidase from Klebsiella pneumoniae in Complex with NAD and Mn2+. Descriptor: 6-phospho-alpha-glucosidase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... Authors: Minasov, G, Shuvalova, L, Kiryukhina, O, Endres, M, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2018-06-25 Release date: 2018-07-18 Last modified: 2023-06-14 Method: X-RAY DIFFRACTION (2.25 Å) Cite: A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae. Microbiol Resour Announc, 12, 2023
3A5T	Crystal structure of MafG-DNA complex Descriptor: 5'-D(*CP*TP*GP*AP*TP*GP*AP*GP*TP*CP*AP*GP*CP*AP*C)-3', 5'-D(*GP*TP*GP*CP*TP*GP*AP*CP*TP*CP*AP*TP*CP*AP*G)-3', MAGNESIUM ION, ... Authors: Kurokawa, H, Motohashi, H, Sueno, S, Kimura, M, Takagawa, H, Kanno, Y, Yamamoto, M, Tanaka, T. Deposit date: 2009-08-11 Release date: 2009-10-13 Last modified: 2023-06-14 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Structural Basis of Alternative DNA Recognition by Maf Transcription Factors Mol.Cell.Biol., 29, 2009
3AOD	Structures of the multidrug exporter AcrB reveal a proximal multisite drug-binding pocket Descriptor: (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, Acriflavine resistance protein B, RIFAMPICIN Authors: Nakashima, R, Sakurai, K, Yamaguchi, A. Deposit date: 2010-09-23 Release date: 2011-11-30 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (3.3 Å) Cite: Structures of the multidrug exporter AcrB reveal a proximal multisite drug-binding pocket Nature, 480, 2011
2FN0	Crystal structure of Yersinia enterocolitica salicylate synthase (Irp9) Descriptor: ACETATE ION, MAGNESIUM ION, PHOSPHATE ION, ... Authors: Kerbarh, O, Chirgadze, D.Y, Blundell, T.L, Abell, C. Deposit date: 2006-01-10 Release date: 2006-02-14 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Crystal Structures of Yersinia enterocolitica Salicylate Synthase and its Complex with the Reaction Products Salicylate and Pyruvate. J.Mol.Biol., 357, 2006
2BCE	CHOLESTEROL ESTERASE FROM BOS TAURUS Descriptor: CHOLESTEROL ESTERASE Authors: Chen, J.C.-H, Miercke, L.J.W, Krucinski, J, Starr, J.R, Saenz, G, Wang, X, Spilburg, C.A, Lange, L.G, Ellsworth, J.L, Stroud, R.M. Deposit date: 1998-01-28 Release date: 1999-02-02 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Structure of bovine pancreatic cholesterol esterase at 1.6 A: novel structural features involved in lipase activation. Biochemistry, 37, 1998
3VMR	Crystal structure of Staphylococcus aureus membrane-bound transglycosylase in complex with moenomycin Descriptor: MOENOMYCIN, Monofunctional glycosyltransferase Authors: Huang, C.Y, Shih, H.W, Lin, L.Y, Tien, Y.W, Cheng, T.J.R, Cheng, W.C, Wong, C.H, Ma, C. Deposit date: 2011-12-15 Release date: 2012-04-18 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (3.688 Å) Cite: Crystal structure of Staphylococcus aureus transglycosylase in complex with a lipid II analog and elucidation of peptidoglycan synthesis mechanism Proc.Natl.Acad.Sci.USA, 109, 2012
3GSX	Crystal structure of the binary complex between HLA-A2 and HCMV NLV-T8V peptide variant Descriptor: Beta-2-microglobulin, HCMV pp65 fragment 495-503, variant T8V (NLVPMVAVV), ... Authors: Reiser, J.-B, Saulquin, X, Gras, S, Debeaupuis, E, Echasserieau, K, Kissenpfennig, A, Legoux, F, Chouquet, A, Le Gorrec, M, Machillot, P, Neveu, B, Thielens, N, Malissen, B, Bonneville, M, Housset, D. Deposit date: 2009-03-27 Release date: 2009-08-04 Last modified: 2021-10-13 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structural bases for the affinity-driven selection of a public TCR against a dominant human cytomegalovirus epitope. J.Immunol., 183, 2009
3AOC	Structures of the multidrug exporter AcrB reveal a proximal multisite drug-binding pocket Descriptor: Acriflavine resistance protein B, ERYTHROMYCIN A Authors: Nakashima, R, Sakurai, K, Yamaguchi, A. Deposit date: 2010-09-23 Release date: 2011-11-30 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (3.34 Å) Cite: Structures of the multidrug exporter AcrB reveal a proximal multisite drug-binding pocket Nature, 480, 2011
4FIW	X-ray crystal structure of Corynebacterium glutamicum Nrdh-redoxin at 1.5A Descriptor: GLYCEROL, Putative glutaredoxin NrdH, SULFATE ION Authors: Messens, J, Dufe, V.T, Khadija, W. Deposit date: 2012-06-11 Release date: 2013-02-06 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.5011 Å) Cite: NrdH-redoxin of Mycobacterium tuberculosis and Corynebacterium glutamicum Dimerizes at High Protein Concentration and Exclusively Receives Electrons from Thioredoxin Reductase. J.Biol.Chem., 288, 2013
3ZN6	VP16-VP17 complex, a complex of the two major capsid proteins of bacteriophage P23-77 Descriptor: CHLORIDE ION, SODIUM ION, VP16, ... Authors: Rissanen, I, Grimes, J.M, Pawlowski, A, Mantynen, S, Harlos, K, Bamford, J.K.H, Stuart, D.I. Deposit date: 2013-02-13 Release date: 2013-05-15 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.53 Å) Cite: Bacteriophage P23-77 Capsid Protein Structures Reveal the Archetype of an Ancient Branch from a Major Virus Lineage. Structure, 21, 2013
6DA8	Human CYP3A4 bound to an inhibitor Descriptor: Cytochrome P450 3A4, Nalpha-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-N-[(pyridin-3-yl)methyl]-D-phenylalaninamide, PROTOPORPHYRIN IX CONTAINING FE Authors: Sevrioukova, I.F. Deposit date: 2018-05-01 Release date: 2019-04-03 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.802 Å) Cite: Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4. Biochemistry, 58, 2019
3BEC	Crystal structure of E. coli penicillin-binding protein 5 in complex with a peptide-mimetic cephalosporin Descriptor: (2R)-2-[(R)-{[(6S)-6-amino-6-carboxyhexanoyl]amino}(carboxy)methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, GLYCEROL, Penicillin-binding protein 5 Authors: Powell, A.J, Davies, C. Deposit date: 2007-11-16 Release date: 2008-08-26 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Crystal structures of complexes of bacterial DD-peptidases with peptidoglycan-mimetic ligands: the substrate specificity puzzle J.Mol.Biol., 381, 2008
6DUX	2.25 Angstrom Resolution Crystal Structure of 6-phospho-alpha-glucosidase from Klebsiella pneumoniae in Complex with NAD. Descriptor: (2S)-2-hydroxybutanedioic acid, 6-phospho-alpha-glucosidase, ACETATE ION, ... Authors: Minasov, G, Shuvalova, L, Kiryukhina, O, Endres, M, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2018-06-22 Release date: 2018-07-04 Last modified: 2023-06-14 Method: X-RAY DIFFRACTION (2.25 Å) Cite: A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae. Microbiol Resour Announc, 12, 2023
2OXI	REFINED CRYSTAL STRUCTURE OF CU-SUBSTITUTED ALCOHOL DEHYDROGENASE AT 2.1 ANGSTROMS RESOLUTION Descriptor: ALCOHOL DEHYDROGENASE, COPPER (II) ION, DIMETHYL SULFOXIDE, ... Authors: Al-Karadaghi, S, Cedergren-Zeppezauer, E.S. Deposit date: 1993-11-08 Release date: 1994-01-31 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Refined structure of Cu-substituted alcohol dehydrogenase at 2.1 A resolution. Acta Crystallogr.,Sect.D, 51, 1995
6DLI	Crystal structure of glutamate racemase from Thermus thermophilus in complex with Beta-chloro-D-alanine Descriptor: 3-chloro-D-alanine, GLYCEROL, Glutamate racemase Authors: Cooling, G.T, Vance, N.R, Spies, M.A. Deposit date: 2018-06-01 Release date: 2019-06-05 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Crystal structure of glutamate racemase from Thermus Thermophilus in complex with Beta-chloro-D-alanine To be Published
3AUJ	Structure of diol dehydratase complexed with glycerol Descriptor: CALCIUM ION, COBALAMIN, Diol dehydrase alpha subunit, ... Authors: Yamanishi, M, Kinoshita, K, Fukuoka, M, Shibata, T, Tobimatsu, T, Toraya, T. Deposit date: 2011-02-07 Release date: 2012-02-22 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Redesign of coenzyme B(12) dependent diol dehydratase to be resistant to the mechanism-based inactivation by glycerol and act on longer chain 1,2-diols Febs J., 279, 2012
5R8K	PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z355728146 in complex with INTERLEUKIN-1 BETA Descriptor: 2-[(2~{R},5~{S})-2,5-dimethylmorpholin-4-yl]-~{N}-ethyl-ethanamide, Interleukin-1 beta, SULFATE ION Authors: De Nicola, G.F, Nichols, C.E. Deposit date: 2020-03-03 Release date: 2020-04-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.47 Å) Cite: Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
5R86	PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z943693514 in complex with INTERLEUKIN-1 BETA Descriptor: Interleukin-1 beta, SULFATE ION, ~{N}-(4-hydroxyphenyl)-2-methoxy-ethanamide Authors: De Nicola, G.F, Nichols, C.E. Deposit date: 2020-03-03 Release date: 2020-04-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
5R92	PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment KCL063 in complex with MAP kinase p38-alpha Descriptor: (3~{S})-~{N}-methoxy-1-(4-methoxyphenyl)-~{N}-methyl-5-oxidanylidene-pyrrolidine-3-carboxamide, ACETATE ION, CHLORIDE ION, ... Authors: De Nicola, G.F, Nichols, C.E. Deposit date: 2020-03-04 Release date: 2020-07-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.66 Å) Cite: Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
5R8H	PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z111716368 in complex with INTERLEUKIN-1 BETA Descriptor: Interleukin-1 beta, N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide, SULFATE ION Authors: De Nicola, G.F, Nichols, C.E. Deposit date: 2020-03-03 Release date: 2020-04-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
5R8Y	PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N08078b in complex with MAP kinase p38-alpha Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... Authors: De Nicola, G.F, Nichols, C.E. Deposit date: 2020-03-04 Release date: 2020-07-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.679 Å) Cite: Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
5R9I	PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment TCJ795 in complex with MAP kinase p38-alpha Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... Authors: De Nicola, G.F, Nichols, C.E. Deposit date: 2020-03-04 Release date: 2020-07-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.813 Å) Cite: Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020

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